Lattice instabilities in metallic elements
Most metallic elements have a crystal structure that is either body-centered cubic (bcc), face-
centered close packed, or hexagonal close packed. If the bcc lattice is the …
centered close packed, or hexagonal close packed. If the bcc lattice is the …
Connection between mechanical relaxation and equilibration kinetics in a high-entropy metallic glass
The slow transition from an out-of-equilibrium glass towards a supercooled liquid is a
complex relaxation phenomenon. In this Letter, we study the correlation between …
complex relaxation phenomenon. In this Letter, we study the correlation between …
Shock-induced plasticity in tantalum single crystals: Interatomic potentials and large-scale molecular-dynamics simulations
R Ravelo, TC Germann, O Guerrero, Q An… - Physical Review B …, 2013 - APS
We report on large-scale nonequilibrium molecular dynamics simulations of shock wave
compression in tantalum single crystals. Two new embedded atom method interatomic …
compression in tantalum single crystals. Two new embedded atom method interatomic …
Experimental and theoretical confirmation of an orthorhombic phase transition in niobium at high pressure and temperature
D Errandonea, L Burakovsky, DL Preston… - Communications …, 2020 - nature.com
Compared to other body-centered cubic (bcc) transition metals, Nb has been the subject of
fewer compression studies and there are still aspects of its phase diagram which are …
fewer compression studies and there are still aspects of its phase diagram which are …
Gaussian approximation potentials for body-centered-cubic transition metals
We develop a set of machine-learning interatomic potentials for elemental V, Nb, Mo, Ta,
and W using the Gaussian approximation potential framework. The potentials show good …
and W using the Gaussian approximation potential framework. The potentials show good …
Molecular dynamics simulations of shock-induced plasticity in tantalum
Abstract We present Non-Equilibrium Molecular Dynamics (NEMD) simulations of shock
wave compression along the [001] direction in monocrystalline Tantalum, including pre …
wave compression along the [001] direction in monocrystalline Tantalum, including pre …
High-pressure melting curves of the transition metals Cu, Ni, Pd, and Pt
D Errandonea - Physical Review B—Condensed Matter and Materials …, 2013 - APS
Melting curves of Cu, Ni, Pd, and Pt were measured in a laser-heated diamond-anvil cell up
to 43, 52, 28, and 28 GPa, respectively. The obtained results are compared with previous …
to 43, 52, 28, and 28 GPa, respectively. The obtained results are compared with previous …
Characterization of the high-pressure and high-temperature phase diagram and equation of state of chromium
S Anzellini, D Errandonea, L Burakovsky, JE Proctor… - Scientific reports, 2022 - nature.com
The high-pressure and high-temperature phase diagram of chromium has been investigated
both experimentally (in situ), using a laser-heated diamond-anvil cell technique coupled with …
both experimentally (in situ), using a laser-heated diamond-anvil cell technique coupled with …
Efficient approach to compute melting properties fully from ab initio with application to Cu
Applying thermodynamic integration within an ab initio-based free-energy approach is a
state-of-the-art method to calculate melting points of materials. However, the high …
state-of-the-art method to calculate melting points of materials. However, the high …
[HTML][HTML] Analysis of shockless dynamic compression data on solids to multi-megabar pressures: Application to tantalum
JP Davis, JL Brown, MD Knudson… - Journal of Applied …, 2014 - pubs.aip.org
Magnetically-driven, planar shockless-compression experiments to multi-megabar
pressures were performed on tantalum samples using a stripline target geometry. Free …
pressures were performed on tantalum samples using a stripline target geometry. Free …